Geometry & MOs

Info

ID:	217854
PubChem CID:	85088494
Reduced:	N2O4C24H27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	406.12388
ΔH_f, kcal/mol:	-140.15
Dipole, Da:	10.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.077154
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-2-(4-methylphenyl)sulfinyltetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7,13-tetraene-3,10-dione

Drug info:

PubChemData

Smile

CC1(CCC(C2=CC3=[N+](C(=O)N(C(=O)C3C=C21)C4=CC=C(C=C4)C(=O)O)C)(C)C)C

DOS

IR

Vibrations